2-ethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid

C7H11NO5 — CID 174826920

IUPAC2-ethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
SMILESCCOC(=O)C1NC(C(=O)O)CO1
InChIInChI=1S/C7H11NO5/c1-2-12-7(11)5-8-4(3-13-5)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)
InChIKeyCHUFXWXUPAFGMK-UHFFFAOYSA-N
MW189.17 g/mol
LogP-1.05
Rot. Bonds3

About 2-ethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid

2-ethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 174826920) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-ethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
PubChem CID174826920
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name2-ethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
SMILESCCOC(=O)C1NC(C(=O)O)CO1
InChIInChI=1S/C7H11NO5/c1-2-12-7(11)5-8-4(3-13-5)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)
InChIKeyCHUFXWXUPAFGMK-UHFFFAOYSA-N
XLogP-1.05
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 2-ethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid (CID 174826920) is 2-ethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid is CCOC(=O)C1NC(C(=O)O)CO1.
What is the InChIKey of 2-ethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is CHUFXWXUPAFGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c1-2-12-7(11)5-8-4(3-13-5)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-ethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid?
2-ethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 174826920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).